V001-5630 Screening compound: N~1~-butyl-4-(tert-butyl)-N~1~-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)benzamide

V001-5630 Screening compound: N~1~-butyl-4-(tert-butyl)-N~1~-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)benzamide
V001-5630 Screening compound: N~1~-butyl-4-(tert-butyl)-N~1~-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-5630
N~1~-butyl-4-(tert-butyl)-N~1~-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V001-5630

Molecular Formula

C34H37FN2O4 (C34 H37 FN2 O4)

Compound Name

N~1~-butyl-4-(tert-butyl)-N~1~-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)benzamide

IUPAC name

2-[N-butyl-1-(4-tert-butylphenyl)formamido]-N-[(4-fluorophenyl)methyl]-N-[(4-oxo-4H-chromen-3-yl)methyl]acetamide

SMILES

CCCCN(CC(N(Cc(cc1)ccc1F)CC1=COc(cccc2)c2C1=O)=O)C(c1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C34H37FN2O4/c1-5-6-19-36(33(40)25-13-15-27(16-14-25)34(2,3)4)22-31(38)37(20-24-11-17-28(35)18-12-24)21-26-23-41-30-10-8-7-9-29(30)32(26)39/h7-18,23H,5-6,19-22H2,1-4H3

InChI Key

MWTMAVXQMXVGBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19768011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.319

Distribution Coefficient, logD

6.319

Water Solubility, LogSw

-5.50

Polar Surface Area

53.005

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.35

V001-5630 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V001-5630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-5630?
Check Price and Availability of V001-5630, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-5630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-5630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-5630
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V001-5630 available by request